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Information card for entry 5000050
Preview
| Coordinates | 5000050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Carboxy-decarboxamido-vancomycin hydrate |
|---|---|
| Formula | C66 H76 Cl2 N8 O26 |
| Calculated formula | C66 Cl2 N8 O56 |
| Title of publication | Structure of vancomycin and its complex with acetyl-D-alanyl-D-alanine |
| Authors of publication | Sheldrick, George M.; Jones, Peter G.; Kennard, Olga; Williams, Dudley H.; Smith, Gerald A. |
| Journal of publication | Nature (London, United Kingdom) |
| Year of publication | 1978 |
| Journal volume | 271 |
| Journal issue | 5642 |
| Pages of publication | 223 |
| a | 13.926 ± 0.005 Å |
| b | 21.578 ± 0.005 Å |
| c | 33.802 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10157.3 Å3 |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.16 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210093 (current) | 2018-08-23 | cif/5/00/00/ Updating bibliography in entry 5000050. |
5000050.cif |
| 195720 | 2017-04-24 | cif/5/00/00/ Taking correct R and wR factors from the original publication (was given in percent before). |
5000050.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
5000050.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
5000050.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000050.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
5000050.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
5000050.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000050.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
5000050.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
5000050.cif |
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Users of the data should acknowledge the original authors of the
structural data.